(2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C11H18N4O3S — CID 45497110

IUPAC(2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCn1nccc1C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H18N4O3S/c1-3-15-10(4-5-12-15)11(16)13-6-8-14(9-7-13)19(2,17)18/h4-5H,3,6-9H2,1-2H3
InChIKeySICJNMPYWNWKAR-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.38
Rot. Bonds3

About (2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 45497110) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is (2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID45497110
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name(2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCn1nccc1C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H18N4O3S/c1-3-15-10(4-5-12-15)11(16)13-6-8-14(9-7-13)19(2,17)18/h4-5H,3,6-9H2,1-2H3
InChIKeySICJNMPYWNWKAR-UHFFFAOYSA-N
XLogP-0.38
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 45497110) is (2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CCn1nccc1C(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is SICJNMPYWNWKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-3-15-10(4-5-12-15)11(16)13-6-8-14(9-7-13)19(2,17)18/h4-5H,3,6-9H2,1-2H3.
What are the key properties of (2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 286.36 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrazol-3-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 45497110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).